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Journal Abstract Search

233 related items for PubMed ID: 26574321

  • 1.
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  • 2. Auxiliary basis sets for density fitting second-order Møller-Plesset perturbation theory: correlation consistent basis sets for the 5d elements Hf-Pt.
    Hill JG.
    J Chem Phys; 2011 Jul 28; 135(4):044105. PubMed ID: 21806088
    [Abstract] [Full Text] [Related]

  • 3. Correlation consistent basis sets for explicitly correlated wavefunctions: valence and core-valence basis sets for Li, Be, Na, and Mg.
    Hill JG, Peterson KA.
    Phys Chem Chem Phys; 2010 Sep 21; 12(35):10460-8. PubMed ID: 20603665
    [Abstract] [Full Text] [Related]

  • 4. Auxiliary basis sets for density-fitting second-order Møller-Plesset perturbation theory: weighted core-valence correlation consistent basis sets for the 4d elements Y-Pd.
    Hill JG.
    J Comput Chem; 2013 Sep 30; 34(25):2168-77. PubMed ID: 23828233
    [Abstract] [Full Text] [Related]

  • 5. Correlation consistent basis sets for molecular core-valence effects with explicitly correlated wave functions: the atoms B-Ne and Al-Ar.
    Hill JG, Mazumder S, Peterson KA.
    J Chem Phys; 2010 Feb 07; 132(5):054108. PubMed ID: 20136306
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  • 9. Auxiliary basis sets for density fitting-MP2 calculations: Nonrelativistic triple-zeta all-electron correlation consistent basis sets for the 3d elements Sc-Zn.
    Hill JG, Platts JA.
    J Chem Phys; 2008 Jan 28; 128(4):044104. PubMed ID: 18247927
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  • 11. Optimized Basis Sets for the Environment in the Domain-Specific Basis Set Approach of the Incremental Scheme.
    Anacker T, Hill JG, Friedrich J.
    J Phys Chem A; 2016 Apr 21; 120(15):2443-58. PubMed ID: 27002338
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  • 12. General orbital invariant MP2-F12 theory.
    Werner HJ, Adler TB, Manby FR.
    J Chem Phys; 2007 Apr 28; 126(16):164102. PubMed ID: 17477584
    [Abstract] [Full Text] [Related]

  • 13. Correlation consistent basis sets for explicitly correlated wavefunctions: pseudopotential-based basis sets for the post-d main group elements Ga-Rn.
    Hill JG, Peterson KA.
    J Chem Phys; 2014 Sep 07; 141(9):094106. PubMed ID: 25194363
    [Abstract] [Full Text] [Related]

  • 14. Coupled Cluster and Møller-Plesset Perturbation Theory Calculations of Noncovalent Intermolecular Interactions using Density Fitting with Auxiliary Basis Sets from Cholesky Decompositions.
    Boström J, Pitoňák M, Aquilante F, Neogrády P, Pedersen TB, Lindh R.
    J Chem Theory Comput; 2012 Jun 12; 8(6):1921-8. PubMed ID: 26593826
    [Abstract] [Full Text] [Related]

  • 15. Systematically convergent basis sets for explicitly correlated wavefunctions: the atoms H, He, B-Ne, and Al-Ar.
    Peterson KA, Adler TB, Werner HJ.
    J Chem Phys; 2008 Feb 28; 128(8):084102. PubMed ID: 18315028
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  • 16. Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets.
    Hill JG, Peterson KA, Knizia G, Werner HJ.
    J Chem Phys; 2009 Nov 21; 131(19):194105. PubMed ID: 19929044
    [Abstract] [Full Text] [Related]

  • 17. The aug-cc-pVnZ-F12 basis set family: Correlation consistent basis sets for explicitly correlated benchmark calculations on anions and noncovalent complexes.
    Sylvetsky N, Kesharwani MK, Martin JML.
    J Chem Phys; 2017 Oct 07; 147(13):134106. PubMed ID: 28987100
    [Abstract] [Full Text] [Related]

  • 18. A scaled explicitly correlated F12 correction to second-order Møller-Plesset perturbation theory.
    Urban L, Thompson TH, Ochsenfeld C.
    J Chem Phys; 2021 Jan 28; 154(4):044101. PubMed ID: 33514114
    [Abstract] [Full Text] [Related]

  • 19. Efficient Density-Fitted Explicitly Correlated Dispersion and Exchange Dispersion Energies.
    Kodrycka M, Patkowski K.
    J Chem Theory Comput; 2021 Mar 09; 17(3):1435-1456. PubMed ID: 33606539
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  • 20. Analytical energy gradients for explicitly correlated wave functions. I. Explicitly correlated second-order Møller-Plesset perturbation theory.
    Győrffy W, Knizia G, Werner HJ.
    J Chem Phys; 2017 Dec 07; 147(21):214101. PubMed ID: 29221401
    [Abstract] [Full Text] [Related]

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